Geometry & MOs

Info

ID:	194897
PubChem CID:	78606022
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	378.033811
ΔH_f, kcal/mol:	-172.03
Dipole, Da:	2.76
IP(EA), eV:	-8.76(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C=CC2=CC=C(C=C2)C(=O)OC)C

DOS

IR

Vibrations